N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

C21H17F3N4O3 — CID 11270358

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1)C(N)=O
InChIInChI=1S/C21H17F3N4O3/c1-12(18(25)29)27-20(30)19-26-10-9-16(28-19)14-6-4-5-13(11-14)15-7-2-3-8-17(15)31-21(22,23)24/h2-12H,1H3,(H2,25,29)(H,27,30)/t12-/m1/s1
InChIKeyZXISQHSSVAEZNU-GFCCVEGCSA-N
MW430.39 g/mol
LogP3.31
Rot. Bonds6

About N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (PubChem CID 11270358) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
PubChem CID11270358
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1)C(N)=O
InChIInChI=1S/C21H17F3N4O3/c1-12(18(25)29)27-20(30)19-26-10-9-16(28-19)14-6-4-5-13(11-14)15-7-2-3-8-17(15)31-21(22,23)24/h2-12H,1H3,(H2,25,29)(H,27,30)/t12-/m1/s1
InChIKeyZXISQHSSVAEZNU-GFCCVEGCSA-N
XLogP3.31
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide
CID 11190977
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
1-propan-2-yl-3-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]urea
CID 11316139
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[2-(trifluoromethoxy)phenyl]furan-2-carboxamide
CID 99823870
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 58832520

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (CID 11270358) is N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is C[C@@H](NC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The InChIKey is ZXISQHSSVAEZNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-12(18(25)29)27-20(30)19-26-10-9-16(28-19)14-6-4-5-13(11-14)15-7-2-3-8-17(15)31-21(22,23)24/h2-12H,1H3,(H2,25,29)(H,27,30)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 11270358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).